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Crystal structure of CYP116B46-N(20-445) from Tepidiphilus thermophilus in complex with HEME
Analyse Crystal structure of CYP116B46-N(20-445) from Tepidiphilus thermophilus in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6LDL
- Type
- protein
- Length
- 418 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.38
- Source
- Tepidiphilus thermophilus
- Molecule
- Cytochrome P450
- UniProt
- A0A0K6ITW2
- Ligands
- HEM, BCN
- Pockets
- 5 · best druggability 0.84
Structure
x-ray diffraction · resolution 1.38 · 1 distinct chain · 53% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 | protein | 418 | 53% helix, 8% strand | A0A0K6ITW2 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- BCN · Bicine · ligand · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 721 | 0.84 | 0.87 | 74 | HEM, GOL |
| 2 | 71 | 0.45 | 0.82 | 23 | empty |
| 3 | 133 | 0.43 | 0.76 | 21 | empty |
| 4 | 66 | 0.38 | 0.79 | 17 | empty |
| 5 | 72 | 0.31 | 0.74 | 18 | empty |
Compared structures
- 6LDL · Crystal structure of CYP116B46-N(20-445) from tepidiphilus thermophilus in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A0A0K6ITW2
- Elsewhere: RCSB PDB 6LDL · PDBe 6LDL · UniProt A0A0K6ITW2
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